COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.655  -2.698   0.811  1.00  0.00           C  
HETATM    2  C   UNL     1       6.490  -1.483   0.498  1.00  0.00           C  
HETATM    3  C   UNL     1       7.863  -1.597   0.392  1.00  0.00           C  
HETATM    4  C   UNL     1       8.632  -0.478   0.104  1.00  0.00           C  
HETATM    5  C   UNL     1       6.649   0.869   0.031  1.00  0.00           C  
HETATM    6  N   UNL     1      10.023  -0.593  -0.003  1.00  0.00           N  
HETATM    7  C   UNL     1       8.021   0.756  -0.076  1.00  0.00           C  
HETATM    8  C   UNL     1       5.985   2.208  -0.165  1.00  0.00           C  
HETATM    9  C   UNL     1       5.881  -0.249   0.323  1.00  0.00           C  
HETATM   10  O   UNL     1       4.531  -0.136   0.433  1.00  0.00           O  
HETATM   11  C   UNL     1       3.764  -0.324  -0.758  1.00  0.00           C  
HETATM   12  C   UNL     1       2.299  -0.163  -0.444  1.00  0.00           C  
HETATM   13  O   UNL     1       1.946   0.089   0.688  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.328  -0.855  -1.760  1.00  0.00           C  
HETATM   15  N   UNL     1       1.382  -0.298  -1.422  1.00  0.00           N  
HETATM   16  O   UNL     1      -3.121  -0.282  -2.476  1.00  0.00           O  
HETATM   17  C   UNL     1      -0.872  -0.915  -2.143  1.00  0.00           C  
HETATM   18  C   UNL     1       0.310   2.084  -0.081  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.415   1.342  -1.173  1.00  0.00           C  
HETATM   20  C   UNL     1       1.642   3.447   1.923  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.042  -0.141  -1.117  1.00  0.00           C  
HETATM   22  O   UNL     1      -0.696  -0.332  -3.436  1.00  0.00           O  
HETATM   23  C   UNL     1       1.558   2.627  -0.326  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.274   2.228   1.163  1.00  0.00           C  
HETATM   25  C   UNL     1       2.224   3.308   0.676  1.00  0.00           C  
HETATM   26  C   UNL     1       0.394   2.905   2.167  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.563   0.026  -0.019  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.749  -1.439  -0.620  1.00  0.00           N  
HETATM   29  O   UNL     1      -3.724   0.894   0.105  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.141  -1.410  -0.196  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.390  -2.172   1.125  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.831  -2.150   0.291  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.356  -1.217   2.320  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.712  -2.942   1.079  1.00  0.00           C  
HETATM   35  S   UNL     1      -2.953  -3.324   1.158  1.00  0.00           S  
HETATM   36  N   UNL     1      -5.872   0.347   0.002  1.00  0.00           N  
HETATM   37  C   UNL     1      -6.281   1.743   0.174  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.786   1.829   0.162  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.524   1.926  -1.148  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.452   1.822   1.290  1.00  0.00           C  
HETATM   41  H   UNL     1       5.548  -2.797   1.891  1.00  0.00           H  
HETATM   42  H   UNL     1       4.670  -2.588   0.356  1.00  0.00           H  
HETATM   43  H   UNL     1       6.143  -3.587   0.411  1.00  0.00           H  
HETATM   44  H   UNL     1       8.337  -2.558   0.532  1.00  0.00           H  
HETATM   45  H   UNL     1      10.560   0.189  -0.204  1.00  0.00           H  
HETATM   46  H   UNL     1      10.449  -1.455   0.123  1.00  0.00           H  
HETATM   47  H   UNL     1       8.619   1.627  -0.300  1.00  0.00           H  
HETATM   48  H   UNL     1       5.732   2.337  -1.217  1.00  0.00           H  
HETATM   49  H   UNL     1       5.078   2.254   0.437  1.00  0.00           H  
HETATM   50  H   UNL     1       6.668   3.000   0.145  1.00  0.00           H  
HETATM   51  H   UNL     1       4.061   0.416  -1.501  1.00  0.00           H  
HETATM   52  H   UNL     1       3.944  -1.325  -1.151  1.00  0.00           H  
HETATM   53  H   UNL     1       1.664  -0.499  -2.328  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.545  -1.954  -2.166  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.131   1.752  -2.142  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.491   1.451  -1.034  1.00  0.00           H  
HETATM   57  H   UNL     1       2.163   3.978   2.705  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.245  -0.529  -0.119  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.967   0.595  -3.490  1.00  0.00           H  
HETATM   60  H   UNL     1       2.013   2.518  -1.299  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.250   1.808   1.353  1.00  0.00           H  
HETATM   62  H   UNL     1       3.199   3.731   0.486  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.060   3.013   3.140  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.755  -1.857  -0.977  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.068  -2.689  -0.271  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.375  -1.458   0.998  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.426  -0.649   2.305  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.202  -0.531   2.261  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.417  -1.790   3.245  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.805  -3.557   1.973  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.542  -2.237   1.034  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.729  -3.580   0.195  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.542  -0.347  -0.097  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.904   2.117   1.126  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.876   2.343  -0.640  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.761   0.924  -1.506  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.447   2.488  -1.005  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.899   2.435  -1.881  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.923   1.753   2.229  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.530   1.884   1.281  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1    9    9                                       
CONECT    3    4    4    2   44                                       
CONECT    4    7    6    3    3                                       
CONECT    5    8    7    7    9                                       
CONECT    6    4   45   46                                            
CONECT    7    5    5    4   47                                       
CONECT    8    5   48   49   50                                       
CONECT    9    5    2    2   10                                       
CONECT   10    9   11                                                 
CONECT   11   10   12   51   52                                       
CONECT   12   11   13   13   15                                       
CONECT   13   12   12                                                 
CONECT   14   17   16   16   28                                       
CONECT   15   12   21   53                                            
CONECT   16   14   14                                                 
CONECT   17   21   22   14   54                                       
CONECT   18   19   23   23   24                                       
CONECT   19   21   18   55   56                                       
CONECT   20   25   25   26   57                                       
CONECT   21   15   19   17   58                                       
CONECT   22   17   59                                                 
CONECT   23   18   18   25   60                                       
CONECT   24   18   26   26   61                                       
CONECT   25   23   20   20   62                                       
CONECT   26   20   24   24   63                                       
CONECT   27   30   29   29   36                                       
CONECT   28   14   32   30                                            
CONECT   29   27   27                                                 
CONECT   30   28   31   27   64                                       
CONECT   31   35   34   33   30                                       
CONECT   32   28   35   65   66                                       
CONECT   33   31   67   68   69                                       
CONECT   34   31   70   71   72                                       
CONECT   35   32   31                                                 
CONECT   36   27   37   73                                            
CONECT   37   36   38   74   75                                       
CONECT   38   37   39   40   40                                       
CONECT   39   38   76   77   78                                       
CONECT   40   38   38   79   80                                       
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   39                                                      
CONECT   79   40                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
